2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide

C20H19ClN2O4 — CID 4975664

IUPAC2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)NCc3ccncc3)c(Cl)cc12
InChIInChI=1S/C20H19ClN2O4/c1-3-14-8-19(24)27-17-10-18(16(21)9-15(14)17)26-12(2)20(25)23-11-13-4-6-22-7-5-13/h4-10,12H,3,11H2,1-2H3,(H,23,25)
InChIKeyUQYIUZMXOKKKTF-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.49
Rot. Bonds6

About 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide

2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 4975664) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
PubChem CID4975664
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)NCc3ccncc3)c(Cl)cc12
InChIInChI=1S/C20H19ClN2O4/c1-3-14-8-19(24)27-17-10-18(16(21)9-15(14)17)26-12(2)20(25)23-11-13-4-6-22-7-5-13/h4-10,12H,3,11H2,1-2H3,(H,23,25)
InChIKeyUQYIUZMXOKKKTF-UHFFFAOYSA-N
XLogP3.49
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7632023
(2S)-2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632037
(2S)-2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632762
(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7596637
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4905099
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
CID 24520454
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7618429
(2R)-2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxypropanoic acid
CID 938033
(2R)-2-[(2-chloro-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
CID 7581419
(2S)-2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 29034234
6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 7375637

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide (CID 4975664) is 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide is CCc1cc(=O)oc2cc(OC(C)C(=O)NCc3ccncc3)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is UQYIUZMXOKKKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-14-8-19(24)27-17-10-18(16(21)9-15(14)17)26-12(2)20(25)23-11-13-4-6-22-7-5-13/h4-10,12H,3,11H2,1-2H3,(H,23,25).
What are the key properties of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 386.84 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 4975664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).